5-hexyl-6-methyl-2-[(4-nitrophenyl)amino]-1,3-diazinan-4-one

Systemtic Name: 5-hexyl-6-methyl-2-[(4-nitrophenyl)amino]-1,3-diazinan-4-one Openeye Name: 5-hexyl-6-methyl-2-(4-nitroanilino)hexahydropyrimidin-4-one CAS Name: 5-hexyl-6-methyl-2-(4-nitroanilino)-1,3-diazinan-4-one IUPAC Name: 5-hexyl-6-methyl-2-(4-nitroanilino)-1,3-diazinan-4-one Traditional Name: 5-hexyl-6-methyl-2-(4-nitroanilino)hexahydropyrimidin-4-one Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H26N4O3/c1-3-4-5-6-7-15-12(2)18-17(20-16(15)22)19-13-8-10-14(11-9-13)21(23)24/h8-12,15,17-19H,3-7H2,1-2H3,(H,20,22)